I have a version of this code that handles fitting an isothermal EOS to finite temperature lattice dynamics calculations, calculations at 0K including the ZPE, and real static calculations. It would be nice to integrate this with the command line driven stuff.
I have a version of this code that handles fitting an isothermal EOS to finite temperature lattice dynamics calculations, calculations at 0K including the ZPE, and real static calculations. It would be nice to integrate this with the command line driven stuff.